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Molecular Informatics|January 28, 2020
The Effect of Resampling on Data-imbalanced Conditions for Prediction towards Nuclear Receptor Profiling Using Deep LearningYong Oh Lee, Young Jun Kim
Molecular Informatics|October 28, 2021
Discovery of Inhibitors for Mycobacterium Tuberculosis Peptide Deformylase Based on Virtual Screening in SilicoXinpeng Li, Qihua Jiang, Xiaolan Yang
Molecular Informatics|August 18, 2017
Structure Modification toward Applicability Domain of a QSAR/QSPR Model Considering Activity/PropertyShoki Ochi, Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics|July 21, 2017
ParSel: Parallel Selection of Micro-RNAs for Survival Classification in CancersDebajyoti Sinha, Debarka Sengupta, Sanghamitra Bandyopadhyay
Molecular Informatics|October 13, 2017
Importance of an Orchestrate Participation of each Individual Residue Present at a Catalytic SiteSantanu Das
Molecular Informatics|November 9, 2017
Protocols for the Design of Kinase-focused Compound LibrariesEdgar Jacoby, Berthold Wroblowski, Christophe Buyck, et al.
Molecular Informatics|October 10, 2017
Ligand-based Modeling for the Prediction of Pharmacophore Features for Multi-targeted Inhibition of the Arachidonic Acid CascadeNisha Saroj Devi, Rajasekar Shanmugam, Jayanta Ghorai, et al.
Molecular Informatics|August 1, 2015
G Protein-Coupled Estrogen Receptor (GPER) Agonist Dual Binding Mode Analyses toward Understanding of its Activation Mechanism: A Comparative Homology Modeling ApproachChristopher K Arnatt, Yan Zhang
Molecular Informatics|January 11, 2018
De Novo Design of Bioactive Small Molecules by Artificial IntelligenceDaniel Merk, Lukas Friedrich, Francesca Grisoni, et al.
Molecular Informatics|December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic MappingDragos Horvath, Gilles Marcou, Alexandre Varnek
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